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RESEARCH PAPER · Chemical Communications · 2018

Prediction and understanding of AIE effect by quantum mechanics-aided machine-learning algorithm

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42 direct citing works

Prediction and understanding of AIE effect by quantum mechanics-aided machine-learning algorithmOriginalA new strategy for achieving single-molecular white-light emission: using vibration-induced emission (VIE) plus aggregation-induced emission (AIE) mechanisms as a two-pronged approach54Self-healing gels triggered by ultrasound with color-tunable emission based on ion recognition36Conformation of D‐π‐A Molecular with Functional Imidazole Group: Achieving High Color Contrast Mechanochromic Behavior and Selectively Detection of Picric Acid in Aqueous Medium13Emerging role of machine learning in light-matter interaction83Determination of Hydrogen Sulfide in Wines Based on Chemical-Derivatization-Triggered Aggregation-Induced Emission by High-Performance Liquid Chromatography with Fluorescence Detection52Achieving ACQ-AIE modulation using isostructural organic fluorophores46Enhancement of Lipid Productivity of Chlorella sp. Using Light-Converting Red Fluorescent Films Based on Aggregation-Induced Emission42Synthesis, fluorescence properties and F− detection performance of Eu(III) complexes based on the novel coumarin Schiff base derivatives19Machine Learning for Electronically Excited States of Molecules398Intermolecular interaction on excited-state properties of fluoro-substituted thermally activated delayed fluorescence molecules with aggregation-induced emission: a theoretical perspective4Nonconventional luminophores: characteristics, advancements and perspectives462Machine Learning Enables Highly Accurate Predictions of Photophysical Properties of Organic Fluorescent Materials: Emission Wavelengths and Quantum Yields175Ultrahigh Aggregation Induced Emission Efficiency in Multitwist-Based Luminogens under High Pressure23A Functional Cobalt-Organic Framework Constructed by Triphenylamine Tricarboxylate: Detect Nitroaromatics by Fluorescence Sensing and UV Shielding21Intramolecular charge transfer and molecular flexibility: Key parameters to be considered in the design of highly fluorescent p-phenylene vinylene derivatives11Prediction of Maximum Absorption Wavelength Using Deep Neural Networks50Machine Learning Spectroscopy Based on Group Contribution and Molecule Contribution Methods0Different Chemosensing Pathways: A Short Review0Machine Learning Spectroscopy Using a 2-Stage, Generalized Constituent Contribution Protocol14A smart chemosensor with different response mechanisms to multi-analytes: Chromogenic and fluorogenic recognition of Cu2+, Fe3+, and Zn2+29Turn-on stimuli-responsive switch: strategies for activating a new fluorescence channel by pressure15Optimized Machine learning techniques Enable prediction of organic dyes photophysical Properties: Absorption Wavelengths, emission Wavelengths, and quantum yields44Development of Polymethine Dyes for NIR‐II Fluorescence Imaging and Therapy46Machine Learning Prediction of Quantum Yields and Wavelengths of Aggregation-Induced Emission Molecules14Deepening insights of AIE plus TICT activated fluorescent sensor mechanism in probe molecule DPA-CI6Development of organic aggregation-induced emission fluorescent materials based on machine learning models and experimental validation23Data-driven machine learning models for predicting the maximum absorption and emission wavelengths of single benzene fluorophores7Deciphering Design of Aggregation‐Induced Emission Materials by Data Interpretation8人工智能驱动的荧光分子探针设计的研究进展(特邀)0Achieving ultralow critical micelle concentration of surfactant with an unlocked aggregation-induced emission probe under pressure0Performance improvement of single-molecule sensors through deep learning-based decoding of tunneling signals enables sub-attomolar sensitivity2

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  1. A new strategy for achieving single-molecular white-light emission: using vibration-induced emission (VIE) plus aggregation-induced emission (AIE) mechanisms as a two-pronged approach

    Chemical Communications · 2018-12-14

    Huan Wang, Yiru Li, Yiyao Zhang, Ju Mei, Jianhua Su

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  2. Self-healing gels triggered by ultrasound with color-tunable emission based on ion recognition

    Journal of Colloid and Interface Science · 2019-01-04

    Jiangbo Guo, Xudong Yu, Zheng Zhang, Yajuan Li

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  3. Conformation of D‐π‐A Molecular with Functional Imidazole Group: Achieving High Color Contrast Mechanochromic Behavior and Selectively Detection of Picric Acid in Aqueous Medium

    ChemistrySelect · 2019-06-27

    Shuaishuai Zhang, Huichao Zhu, Jianyan Huang, Lin Kong, Yupeng Tian, Jiaxiang Yang

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  4. Emerging role of machine learning in light-matter interaction

    Light Science & Applications · 2019-09-10

    Jiajia Zhou, Bolong Huang, Zheng Yan, Jean‐Claude G. Bünzli

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  5. Determination of Hydrogen Sulfide in Wines Based on Chemical-Derivatization-Triggered Aggregation-Induced Emission by High-Performance Liquid Chromatography with Fluorescence Detection

    Journal of Agricultural and Food Chemistry · 2019-10-31

    Yanxin Yu, Guoliang Li, Di Wu, Fuping Zheng, Xianlong Zhang, Jianghua Liu, Na Hu, Honglun Wang, Yongning Wu

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  6. Achieving ACQ-AIE modulation using isostructural organic fluorophores

    Journal of Photochemistry and Photobiology A Chemistry · 2020-03-09

    Swatilekha Pratihar, Ayan Bhattacharyya, Edamana Prasad

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  7. Enhancement of Lipid Productivity of Chlorella sp. Using Light-Converting Red Fluorescent Films Based on Aggregation-Induced Emission

    ACS Sustainable Chemistry & Engineering · 2020-09-23

    Tae Gyu Hwang, Ga-Yeong Kim, Jong‐In Han, Suhyeon Kim, Jae Pil Kim

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  8. Synthesis, fluorescence properties and F− detection performance of Eu(III) complexes based on the novel coumarin Schiff base derivatives

    Journal of Molecular Liquids · 2020-09-30

    Fangfei Luan, Gangxiang Xiao, Yuxi Zhang, Shiquan Li, Zhongqian Hu, Hongli Du, Dongcai Guo

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  9. Machine Learning for Electronically Excited States of Molecules

    Chemical Reviews · 2020-11-19

    Julia Westermayr, Philipp Marquetand

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  10. Intermolecular interaction on excited-state properties of fluoro-substituted thermally activated delayed fluorescence molecules with aggregation-induced emission: a theoretical perspective

    Molecular Physics · 2020-12-22

    Yuying Ma, Kai Zhang, Yuchen Zhang, Yuzhi Song, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

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  11. Nonconventional luminophores: characteristics, advancements and perspectives

    Chemical Society Reviews · 2021-01-01

    Saixing Tang, Tianjia Yang, Zihao Zhao, Tianwen Zhu, Qiang Zhang, Wubeiwen Hou, Wang Zhang Yuan

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  12. Machine Learning Enables Highly Accurate Predictions of Photophysical Properties of Organic Fluorescent Materials: Emission Wavelengths and Quantum Yields

    Journal of Chemical Information and Modeling · 2021-02-23

    Cheng‐Wei Ju, Hanzhi Bai, Bo Li, Rizhang Liu

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  13. Ultrahigh Aggregation Induced Emission Efficiency in Multitwist-Based Luminogens under High Pressure

    The Journal of Physical Chemistry Letters · 2021-12-28

    You Li, Bifa Cao, Bo Li, Yuliang Liu, Ying Shi, Cailong Liu, Mingxing Jin, Jianbo Gao, Dajun Ding

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  14. A Functional Cobalt-Organic Framework Constructed by Triphenylamine Tricarboxylate: Detect Nitroaromatics by Fluorescence Sensing and UV Shielding

    Talanta · 2022-01-01

    Peijiang Wang, Peijiang Wang, Shanshan Jiang, Jun Zeng, Yuewen Huang, Bin Song, Bin Wang

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  15. Intramolecular charge transfer and molecular flexibility: Key parameters to be considered in the design of highly fluorescent p-phenylene vinylene derivatives

    Dyes and Pigments · 2022-01-21

    Pedro J. Pacheco-Liñán, Amparo Navarro, Juan Tolosa, Mónica Moral, Cristina Martín, Iván Bravo, Johan Hofkens, Joaquín Calixto García-Martínez, Andrés Garzón‐Ruiz

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  16. Prediction of Maximum Absorption Wavelength Using Deep Neural Networks

    Journal of Chemical Information and Modeling · 2022-03-15

    Jinning Shao, Yue Liu, Jiaqi Yan, Ze‐Yi Yan, Yangyang Wu, Zhongying Ru, Jia‐Yu Liao, Xiaoye Miao, Linghui Qian

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  17. Machine Learning Spectroscopy Based on Group Contribution and Molecule Contribution Methods

    Research Square · 2022-10-18

    Jinming Fan, Chao Qian, Shaodong Zhou

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  18. Different Chemosensing Pathways: A Short Review

    Letters in Organic Chemistry · 2022-11-04

    Puspita Sinha, Sunita Prajapati, Subrata Jana

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  19. Machine Learning Spectroscopy Using a 2-Stage, Generalized Constituent Contribution Protocol

    Research · 2023-01-01

    Jinming Fan, Chao Qian, Shaodong Zhou

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  20. A smart chemosensor with different response mechanisms to multi-analytes: Chromogenic and fluorogenic recognition of Cu2+, Fe3+, and Zn2+

    Dyes and Pigments · 2023-02-21

    Da Li, Ailan Liu, Ailan Liu, Yifan Xing, Zhijun Li, Zhijun Li, Yang Luo, Shijie Zhao, Linlin Dong, Tianyou Xie, Kunpeng Guo, Jie Li

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  21. Turn-on stimuli-responsive switch: strategies for activating a new fluorescence channel by pressure

    Optics Express · 2023-03-10

    Yongfeng Wan, Bo Li, Yuliang Liu, Dongwei Wang, Lixia Zhu, Qi Li, Hang Yin, Cailong Liu, Mingxing Jin, Jianbo Gao, Ying Shi

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  22. Optimized Machine learning techniques Enable prediction of organic dyes photophysical Properties: Absorption Wavelengths, emission Wavelengths, and quantum yields

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2023-12-15

    Kapil Dev Mahato, Uday Kumar

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  23. Development of Polymethine Dyes for NIR‐II Fluorescence Imaging and Therapy

    Advanced Healthcare Materials · 2024-03-05

    Xin Chen, Jieyan Li, Shubham Roy, Zia Ullah, Jingsi Gu, Haiyan Huang, Chen Yu, Xuejin Wang, Han Wang, Yinghe Zhang, Bing Guo

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  24. Machine Learning Prediction of Quantum Yields and Wavelengths of Aggregation-Induced Emission Molecules

    Materials · 2024-04-04

    Hele Bi, Jiale Jiang, Junzhao Chen, Xiaojun Kuang, Jinxiao Zhang

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  25. Deepening insights of AIE plus TICT activated fluorescent sensor mechanism in probe molecule DPA-CI

    Chemical Physics Letters · 2024-05-27

    Yifu Zhang, Jiaan Gao, Hongyan Mu, Hui Li, Hongxu Liu

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  26. Development of organic aggregation-induced emission fluorescent materials based on machine learning models and experimental validation

    Journal of Molecular Structure · 2024-06-24

    Yihuan Zhao, Kuan Chen, Binhai Yu, Qianwen Wan, You Wang, Fushan Tang, Xinmin Li

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  27. Data-driven machine learning models for predicting the maximum absorption and emission wavelengths of single benzene fluorophores

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2024-09-24

    Yongshi Jin, Z.-Y. Wang, Miao Dong, Pingping Sun, Weijie Chi

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  28. Deciphering Design of Aggregation‐Induced Emission Materials by Data Interpretation

    Advanced Science · 2024-11-22

    Junyi Gong, Ziwei Deng, Huilin Xie, Zijie Qiu, Zheng Qing Zhao, Ben Zhong Tang

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  29. 人工智能驱动的荧光分子探针设计的研究进展(特邀)

    Chinese Journal of Lasers · 2025-01-01

    马功成 Ma Gongcheng, 刘碧 Liu Bi, 闫慷毅 Yan Kangyi, 姬盛路 Ji Shenglu

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  30. Achieving ultralow critical micelle concentration of surfactant with an unlocked aggregation-induced emission probe under pressure

    Applied Physics Letters · 2026-03-23

    Qi Li, Meilin Guo, Lixia Zhu, Xinze Liu, Peng Zhu, Guangxiong Hu, Hang Yin, Cailong Liu, Huifang Zhao, Ying Shi

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  31. Performance improvement of single-molecule sensors through deep learning-based decoding of tunneling signals enables sub-attomolar sensitivity

    Nature Communications · 2026-04-21

    Xinhuan Zhang, Ziyang Wang, Ping Duan, Xijuan Wang, Yiming Chen, Yuxiao Chen, Manqiu Ma, B. X. Gao, Chuanxiang Chen, Zhichao Pan, Chuancheng Jia, Sàisài Yuán

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